openfermionpyscf

A plugin allowing OpenFermion to interface with PySCF.

Project description

OpenFermion is an open source library (licensed under Apache 2) for compiling and analyzing quantum algorithms which simulate fermionic systems. This plugin library allows the electronic structure package PySCF (licensed under BSD-2-Clause) to interface with OpenFermion.

Installation

To start using OpenFermion-Psi4, first install OpenFermion and PySCF. Then, clone this git repo, change directory to the top level folder and run:

python -m pip install -e .

Alternatively, one can install the latest major release with the command:

python -m pip install openfermionpyscf

Also be sure to take a look at the ipython notebook demos in the examples folder of this repository.

Authors

Ryan Babbush (Google), Jarrod McClean (Google), Ian Kivlichan (Harvard), Damian Steiger (ETH Zurich), Thomas Haner (ETH Zurich), Craig Gidney (Google) and Dave Bacon (Google).

Disclaimer

Project details

Release history Release notifications | RSS feed

0.5

Dec 22, 2020

0.4

Mar 15, 2019

0.3

Aug 28, 2018

0.2

Mar 29, 2018

0.1

Oct 20, 2017

0.1a4 pre-release

Oct 20, 2017

0.1a3 pre-release

Oct 18, 2017

0.1a2 pre-release

Oct 16, 2017

0.1a1 pre-release

Oct 6, 2017

This version

0.1a0 pre-release

Sep 22, 2017

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